UCSF

ZINC41528908

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.69 3.65 -11.91 1 5 0 66 343.861 2
Mid Mid (pH 6-8) 3.69 6.08 -54.33 2 5 1 67 344.869 2
Mid Mid (pH 6-8) 2.76 3.16 -43.52 0 5 -1 64 342.853 3
Mid Mid (pH 6-8) 2.76 5.62 -56.89 1 5 0 66 343.861 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.